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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50254101'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50254101
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(quinolin-3-...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)
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Article
PubMed
n/an/an/an/a 1.68E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50254101
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(quinolin-3-...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair